4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine

C14H27N5O — CID 82456090

IUPAC4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
SMILESCCCOc1nc(CCC)nc(NCCN(C)C)c1N
InChIInChI=1S/C14H27N5O/c1-5-7-11-17-13(16-8-9-19(3)4)12(15)14(18-11)20-10-6-2/h5-10,15H2,1-4H3,(H,16,17,18)
InChIKeyOMJBFBJBJHZTPV-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.77
Rot. Bonds9

About 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine

4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine (PubChem CID 82456090) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
PubChem CID82456090
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
SMILESCCCOc1nc(CCC)nc(NCCN(C)C)c1N
InChIInChI=1S/C14H27N5O/c1-5-7-11-17-13(16-8-9-19(3)4)12(15)14(18-11)20-10-6-2/h5-10,15H2,1-4H3,(H,16,17,18)
InChIKeyOMJBFBJBJHZTPV-UHFFFAOYSA-N
XLogP1.77
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458298
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458254
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456103
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine (CID 82456090) is 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine is CCCOc1nc(CCC)nc(NCCN(C)C)c1N.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine?
The InChIKey is OMJBFBJBJHZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-7-11-17-13(16-8-9-19(3)4)12(15)14(18-11)20-10-6-2/h5-10,15H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine?
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine has a molecular weight of 281.40 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).